Information card for entry 7131406

Structure parameters

• Formula: C73 H69 Cl8 N2 O4 Os P3
• Calculated formula: C73 H69 Cl8 N2 O4 Os P3
• Title of publication: Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes.
• Authors of publication: Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 28
• Pages of publication: 4173 - 4176
• a: 12.8076 ± 0.0005 Å
• b: 20.476 ± 0.0008 Å
• c: 26.9271 ± 0.001 Å
• α: 90°
• β: 97.668 ± 0.002°
• γ: 90°
• Cell volume: 6998.4 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No